N-[(5-methoxy-2-oxidanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(5-methoxy-2-oxidanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-hydroxy-5-methoxy-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(2-hydroxy-5-methoxyanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-hydroxy-5-methoxy-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O5S/c1-22-11-3-4-13(20)12(9-11)18-17(25)19-16(21)10-2-5-14-15(8-10)24-7-6-23-14/h2-5,8-9,20H,6-7H2,1H3,(H2,18,19,21,25)